2-(2-Aminophenyl)-N-{(1S)-2-[(3S)-3-Hydroxy-1-Pyrrolidinyl]-1-Phenylethyl}-N-Methylacetamide

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Properties Simple | Detailed

Formula C21H27N3O2
IUPAC Name 2-(2-aminophenyl)-n-[(1s)-2-[(1r,3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-n-methyl-acetamide
Molecular Mass 353.458 g·mol−1
Heat of Formation -202.1 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 451.17 Å 3
Surface Area 366.75 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (s-(r*,r*))-2-amino-n-(2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl)-n-methylbenzeneacetamide
  • 2-(2-aminophenyl)-n-[(1s)-2-[(3s)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-n-methylacetamide
  • 2-(2-aminophenyl)-n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-n-methyl-acetamide
  • 2-(2-aminophenyl)-n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-n-methyl-ethanamide
  • 2-(2-aminophenyl)-n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-n-methylacetamide
  • benzeneacetamide, 2-amino-n-(2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl)-n-methyl-, (s-(r*,r*))-
  • emd 60,400
  • emd 60400
  • emd-60400
  • n-methyl-n-(1-phenyl-2-(3-hydroxypyrrolidine-1-yl)ethyl)-2-aminophenylacetamide dihydrochloride
CAS Number(s)
  • 142773-98-6
InChIKey SYMWUCVROYSIKP-AZUAARDMSA-N
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